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1-Iodo-11-methyldodecane-1,1,2,2-d4
SpectraBase Compound ID BrsmcUozIe0
InChI InChI=1S/C13H27I/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13H,3-12H2,1-2H3/i10D2,12D2
InChIKey VPMQMBYSWBUCJX-HKWZOHSCSA-N
Mol Weight 314.29 g/mol
Molecular Formula C13H23D4I
Exact Mass 314.140853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 20xqQmb7Nw
Name 1-Iodo-11-methyldodecane-1,1,2,2-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.140852853 u
Formula C13H23D4I
InChI InChI=1S/C13H27I/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13H,3-12H2,1-2H3/i10D2,12D2
InChIKey VPMQMBYSWBUCJX-HKWZOHSCSA-N
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611940
Molecular Weight 314.288 g/mol
Quality 517
SMILES C(I)(C(CCCCCCCCC(C)C)([D])[D])([D])[D]
SPLASH splash10-0abc-9000000000-b3eaa2cc7947c1a1c8b6
Source of Spectrum ACI-56-SM38-38-1 (DOI: 10.1002/anie.201611940)
Wiley ID 1895651